From: Sundararajan Natarajan (sundararajan.natarajan_at_gmail.com)
Date: Tue Apr 02 2013 - 14:06:48 CDT

hello all,
i am running VMD 1.9.1 on mac mountain lion. I want to create boron-nitride
sheets, which has a bond length of 1.4A. I did this with command prompt
graphene -lx 1 -ly 1 -nlayers 1 -cc 0.145

But it creates sheets with bond length 0.1418 (which is the default). My
question is: is it possible to override this option so that we could create
other types of nanosheets?

Thanks in advance for all your help,
Sundar

On Tue, Apr 2, 2013 at 11:20 PM, Axel Kohlmeyer <akohlmey_at_gmail.com> wrote:

> On Tue, Apr 2, 2013 at 1:26 PM, Sundararajan Natarajan
> <sundararajan.natarajan_at_gmail.com> wrote:
> > Hello All,
> >
> > I have used VMD carbon nanotube builder. Would it be possible to generate
> > other nanotubes using the command line option
> >
> > graphene -lx <length> -ly <length> -type <armchair|zigzag> [-nlayers
> <number
> > of layers>] [-b <0|1>] [-a <0|1>] [-d <0|1>] [-i <0|1>] [-cc <blength>]
>
> this is the command to generate graphene sheets. difficult to do
> nanotubes with it.
> what do you mean by "other than CNT".
>
> > I have tried this with -cc <blength>, default is C-C bond, 0.1418. I
> tried
> > to change this, but it does not work.
>
> "does not work" is a useless description. it *does* work for me and
> now this help you??
>
> so you'll have to provide more details: what exactly did you do? and
> what did you expect? and what did you get instead?
>
> ...and always specify which version of VMD and what OS you are using.
>
> > Could you please provide me with suggestions.
>
> please me more specific or else nobody will be able to help you.
>
> thanks,
> axel.
>
> > Thanks,
> > Sundar
>
>
>
> --
> Dr. Axel Kohlmeyer akohlmey_at_gmail.com http://goo.gl/1wk0
> International Centre for Theoretical Physics, Trieste. Italy.
>